493626

Source:http://linkedlifedata.com/resource/chembl/compound/493626

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C24H31N3O4S2/c1-29-17-11-14(12-18(30-2)22(17)31-3)21(28)20-16-9-10-27(13-19(16)33-23(20)25)24(32)26-15-7-5-4-6-8-15/h11-12,15H,4-10,13,25H2,1-3H3,(H,26,32)
chemicalCompound:standardIn...	GLVUUJONLZKJIR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(cc(OC)c1OC)C(=O)c2c(N)sc3CN(CCc23)C(=S)NC4CCCCC4
chemicalCompound:molecularF...	C24H31N3O4S2
chemicalCompound:moleculeId	493626
chemicalCompound:mwFreebase	489.651
chemicalCompound:alogp	5.183
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	146.38
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.256
chemicalCompound:acdLogD	2.256
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	489.651
chemicalCompound:acdMostBpk...	1
chemicalCompound:chemblId	CHEMBL526096
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:593626
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:2256671, activity:2256676, activity:2256679, activity:2256680